SCHEMBL4569358

SCHEMBL4569358

Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cnc34)nc(OCC3CCN(C)CC3)c12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CD O00329 6/20 0.35
RET P07949 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
EGFR P00533 6/20 0.35
SRC P12931 1/20 0.34
BTK Q06187 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13064804 1.00 PIK3R1 (0.36) PIK3R1PIK3CAPIK3CDRETHRH3
SCHEMBL14329184 0.93 PIK3R1 (0.35) PIK3R1PIK3CAPIK3CDHRH3
SCHEMBL14329251 0.92 PIK3CD (0.36) PIK3R1PIK3CAPIK3CDRETEGFR
SCHEMBL14329201 0.91 PIK3CD (0.43) PIK3R1PIK3CAPIK3CDEGFRSRC
SCHEMBL14329121 0.90 PIK3R1 (0.37) PIK3R1PIK3CAPIK3CDRET
SCHEMBL14329140 0.90 IRAK4 (0.39) PIK3R1PIK3CABTK
SCHEMBL16134186 0.90 PIK3R1 (0.35) PIK3R1PIK3CAPIK3CD
SCHEMBL14329153 0.89 PIK3R1 (0.36) PIK3R1PIK3CAPIK3CDEGFRSRC
SCHEMBL14329329 0.85 BTK (0.43) PIK3R1PIK3CAPIK3CDBTK
SCHEMBL20962035 0.84 PIK3CD (0.37) PIK3R1PIK3CAPIK3CDRETHRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388183-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-07-12 US disclosed
US-9388183-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-07-12 US disclosed
US-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-01-29 US disclosed
US-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-01-29 US disclosed
US-8901133-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901133-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
WO-2012064973-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 US disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3R1 27/4885PIK3CA 1/4885PIK3CD 2/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3R1 27/4885PIK3CA 1/4885PIK3CD 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.